Information card for entry 4078767

Structure parameters

• Formula: C39 H41 Cl N O1.5 P Pd
• Calculated formula: C39 H41 Cl N O1.5 P Pd
• Title of publication: Palladacycle-Catalyzed Asymmetric Intermolecular Construction of Chiral Tertiary P-Heterocycles by Stepwise Addition of H‒P‒H Bonds to Bis(enones)
• Authors of publication: Huang, Yinhua; Pullarkat, Sumod A.; Teong, Siewping; Chew, Renta Jonathan; Li, Yongxin; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4871
• a: 11.0288 ± 0.0005 Å
• b: 16.9223 ± 0.0007 Å
• c: 18.77 ± 0.0007 Å
• α: 90°
• β: 105.523 ± 0.002°
• γ: 90°
• Cell volume: 3375.3 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No